4-chloro-3-(2-phenylethyl)-2H-furan-5-one

C12H11ClO2 — CID 102232898

IUPAC4-chloro-3-(2-phenylethyl)-2H-furan-5-one
SMILESO=C1OCC(CCc2ccccc2)=C1Cl
InChIInChI=1S/C12H11ClO2/c13-11-10(8-15-12(11)14)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyCMLOSJPYKYPHPH-UHFFFAOYSA-N
MW222.67 g/mol
LogP2.67
Rot. Bonds3

About 4-chloro-3-(2-phenylethyl)-2H-furan-5-one

4-chloro-3-(2-phenylethyl)-2H-furan-5-one (PubChem CID 102232898) has the molecular formula C12H11ClO2 and a molecular weight of 222.67 g/mol. Its IUPAC name is 4-chloro-3-(2-phenylethyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-chloro-3-(2-phenylethyl)-2H-furan-5-one
PubChem CID102232898
Molecular FormulaC12H11ClO2
Molecular Weight222.67 g/mol
Exact Mass222.04
IUPAC Name4-chloro-3-(2-phenylethyl)-2H-furan-5-one
SMILESO=C1OCC(CCc2ccccc2)=C1Cl
InChIInChI=1S/C12H11ClO2/c13-11-10(8-15-12(11)14)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyCMLOSJPYKYPHPH-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-phenylethyl)-2H-furan-5-one?
The IUPAC name of 4-chloro-3-(2-phenylethyl)-2H-furan-5-one (CID 102232898) is 4-chloro-3-(2-phenylethyl)-2H-furan-5-one.
What is the SMILES notation for 4-chloro-3-(2-phenylethyl)-2H-furan-5-one?
The canonical SMILES for 4-chloro-3-(2-phenylethyl)-2H-furan-5-one is O=C1OCC(CCc2ccccc2)=C1Cl.
What is the InChIKey of 4-chloro-3-(2-phenylethyl)-2H-furan-5-one?
The InChIKey is CMLOSJPYKYPHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO2/c13-11-10(8-15-12(11)14)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 4-chloro-3-(2-phenylethyl)-2H-furan-5-one?
4-chloro-3-(2-phenylethyl)-2H-furan-5-one has a molecular weight of 222.67 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-phenylethyl)-2H-furan-5-one is sourced from PubChem (CID 102232898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).